⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9921627 | 1.00 | — | — | |
| SCHEMBL7850783 | 0.79 | — | — | |
| SCHEMBL6295288 | 0.76 | — | — | |
| SCHEMBL20640616 | 0.73 | — | — | |
| SCHEMBL477481 | 0.72 | — | — | |
| SCHEMBL131611 | 0.72 | — | — | |
| SCHEMBL478047 | 0.72 | — | — | |
| SCHEMBL9780543 | 0.71 | — | — | |
| SCHEMBL9629804 | 0.71 | — | — | |
| SCHEMBL9405677 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5279764-A | Dihalogenobenzene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5273680-A | A chiral tilted smectic liquid crystal based on terphenyls | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-12-28 | — | — | US | disclosed |
| EP-0362318-B1 | 2,3-DIFLUOROBIPHENYLS | MERCK PATENT GmbH (DE) | 1993-08-04 | — | — | EP | disclosed |
| US-5204019-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0329752-B1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK PATENT GmbH (DE) | 1993-03-17 | — | — | EP | disclosed |
| EP-0362318-A1 | 2,3-DIFLUOROBIPHENYLS. | MERCK PATENT GMBH (DE) | 1990-04-11 | — | — | EP | disclosed |
| WO-1989008687-A1 | 2,3-DIFLUOROBIPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0329752-A1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK PATENT GmbH (DE) | 1989-08-30 | — | — | EP | disclosed |